9-Angeloylretronecine
[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-methylbut-2-enoate
Also Known As: 9-Angeloylretronecine|9-Angelylretronecine|Retronecine, 7-angelate|J2.642.723A|[(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2Z)-2-methylbut-2-enoate|2-Butenoic acid, 2-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl) methyl ester, (1R-(1alpha,7(Z),8beta))-|(1R,7aR)-7-[[(Z)-2-Methyl-2-butenoyl]oxymethyl]-2,3,5,7a-tetrahydro-1H-pyrrolizine-1-ol|[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-methylbut-2-enoate
| Molecular Formula | C13H19NO3 |
|---|---|
| Molecular Weight | 237.13649 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.13649 |
| Monoisotopic Mass | 237.13649 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 6922-62-9 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O |
| InChIKey | VYUQPLFRNDQDHW-BTRLNGJCSA-N |
Product Overview
9-Angeloylretronecine (CAS 6922-62-9), with molecular formula C13H19NO3 and molecular weight 237.13649 g/mol. IUPAC: [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-methylbut-2-enoate.
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